SIMILAR PATTERNS OF AMINO ACIDS FOR 3AQI_A_CHDA2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a40 PHOSPHATE-BINDING
PERIPLASMIC PROTEIN
PRECURSOR

(Escherichia
coli) 		PF12849
(PBP_like_2) 		4 ARG A 135
PRO A 219
GLY A  78
TRP A 250
 PO4  A 322 ( 2.7A)
None
None
None
 1.45A 3aqiA-1a40A:
undetectable		 3aqiA-1a40A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		4 ARG A 313
PRO A 138
GLY A 143
MET A 145
 None
 1.48A 3aqiA-1ad3A:
2.8		 3aqiA-1ad3A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		4 MET A 280
ARG A 313
PRO A 244
GLY A 212
 None
 1.19A 3aqiA-1f6dA:
3.2		 3aqiA-1f6dA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fft UBIQUINOL OXIDASE
UBIQUINOL OXIDASE

(Escherichia
coli;
Escherichia
coli) 		PF00115
(COX1)
PF00116
(COX2)
PF06481
(COX_ARM) 		4 ARG A  80
PRO B 177
GLY A 475
MET A 477
 HEM  A1001 (-4.0A)
None
None
None
 1.33A 3aqiA-1fftA:
undetectable		 3aqiA-1fftA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG B 309
PRO B 734
GLY B 696
TRP B 736
 CSZ  B 385 ( 4.6A)
None
ARO  B 384 ( 3.6A)
None
 1.35A 3aqiA-1ffvB:
undetectable		 3aqiA-1ffvB:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r47 ALPHA-GALACTOSIDASE
A

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 MET A  42
GLY A  80
MET A  76
TRP A  81
 None
 1.47A 3aqiA-1r47A:
2.8		 3aqiA-1r47A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ARG A 398
PRO A 273
GLY A 404
TRP A 165
 None
 1.25A 3aqiA-1w1kA:
undetectable		 3aqiA-1w1kA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ARG A 256
PRO A 299
GLY A 435
MET A 431
 None
 1.45A 3aqiA-1wz2A:
0.1		 3aqiA-1wz2A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A1115
ARG A1077
PRO A1106
TRP A1100
 None
 1.30A 3aqiA-1yguA:
undetectable		 3aqiA-1yguA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zem XYLITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		4 ARG A 230
PRO A 151
GLY A 188
MET A 145
 None
 1.45A 3aqiA-1zemA:
2.7		 3aqiA-1zemA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bov RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 MET A 172
ARG A  52
PRO A 121
GLY A  86
 None
 1.46A 3aqiA-2bovA:
3.9		 3aqiA-2bovA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2can ORNITHINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00202
(Aminotran_3) 		4 MET A 228
ARG A 180
PRO A 231
GLY A 234
 None
CAN  A   1 (-4.2A)
None
None
 1.26A 3aqiA-2canA:
3.4		 3aqiA-2canA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 MET B 756
PRO B 779
MET B 787
TRP B 788
 None
 1.04A 3aqiA-2fjaB:
undetectable		 3aqiA-2fjaB:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hrb CARBONYL REDUCTASE
[NADPH] 3

(Homo sapiens) 		PF00106
(adh_short) 		4 MET A 121
PRO A 127
GLY A  83
MET A 129
 None
None
GOL  A2003 ( 3.7A)
None
 1.36A 3aqiA-2hrbA:
3.0		 3aqiA-2hrbA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6j SULFOLOBUS
SOLFATARICUS PROTEIN
TYROSINE PHOSPHATASE

(Sulfolobus
solfataricus) 		PF00102
(Y_phosphatase) 		4 MET A  82
ARG A   5
PRO A  73
GLY A 104
 None
 1.45A 3aqiA-2i6jA:
2.6		 3aqiA-2i6jA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 MET A 413
ARG A  54
PRO A 268
GLY A 388
 None
 1.47A 3aqiA-2ix4A:
2.1		 3aqiA-2ix4A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ke5 RAS-RELATED PROTEIN
RAL-B

(Homo sapiens) 		PF00071
(Ras) 		4 MET A 173
ARG A  52
PRO A 122
GLY A  86
 None
 1.21A 3aqiA-2ke5A:
4.3		 3aqiA-2ke5A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l2b STICHOLYSIN-2

(Stichodactyla
helianthus) 		PF06369
(Anemone_cytotox) 		4 MET A 157
ARG A 141
GLY A 145
TRP A 146
 None
 1.46A 3aqiA-2l2bA:
undetectable		 3aqiA-2l2bA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 MET A  57
ARG A  90
PRO A  32
GLY A  64
 VAL  A  77 ( 3.9A)
ARG  A  90 ( 0.6A)
PRO  A  32 ( 1.1A)
GLY  A  64 ( 0.0A)
 1.34A 3aqiA-2nvvA:
undetectable		 3aqiA-2nvvA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 MET A 350
ARG A 437
PRO A 363
MET A 361
 None
 1.10A 3aqiA-2ovjA:
undetectable		 3aqiA-2ovjA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ARG A  96
PRO A  64
GLY A  84
MET A  86
 None
None
GOL  A1738 (-2.7A)
GOL  A1738 (-4.6A)
 1.47A 3aqiA-2xn1A:
undetectable		 3aqiA-2xn1A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 4 ARG X 135
PRO X 219
GLY X  78
TRP X 250
 PO4  X2322 (-2.8A)
None
None
None
 1.47A 3aqiA-2z22X:
undetectable		 3aqiA-2z22X:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		6 MET A  99
ARG A 114
PRO A 266
GLY A 306
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 3.8A)
None
CHD  A   2 (-4.7A)
 0.00A 3aqiA-3aqiA:
63.2		 3aqiA-3aqiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dpr PROTEIN VP2

(Rhinovirus A) 		PF00073
(Rhv) 		4 ARG B 216
PRO B 248
GLY B  93
MET B  89
 None
 1.37A 3aqiA-3dprB:
undetectable		 3aqiA-3dprB:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		4 MET A 281
ARG A 314
PRO A 245
GLY A 213
 None
 1.29A 3aqiA-3dzcA:
3.6		 3aqiA-3dzcA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 MET A 415
ARG A 426
PRO A 544
GLY A 339
 None
 1.48A 3aqiA-3gmeA:
undetectable		 3aqiA-3gmeA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdv RESPONSE REGULATOR

(Pseudomonas
putida) 		PF00072
(Response_reg) 		4 ARG A 136
PRO A 125
GLY A 128
MET A 123
 None
 1.36A 3aqiA-3hdvA:
5.0		 3aqiA-3hdvA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		4 ARG A 230
PRO A 201
GLY A 244
MET A 221
 None
EDO  A 307 ( 4.1A)
None
None
 1.50A 3aqiA-3l5oA:
undetectable		 3aqiA-3l5oA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 MET A  73
ARG A 246
GLY A  96
MET A  92
 None
GRA  A 402 (-3.4A)
None
FAD  A 400 ( 4.5A)
 1.48A 3aqiA-3mpiA:
undetectable		 3aqiA-3mpiA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 354
GLY A 350
MET A 352
TRP A 369
 None
 1.40A 3aqiA-3nyoA:
undetectable		 3aqiA-3nyoA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk9 MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM44

(Saccharomyces
cerevisiae) 		PF04280
(Tim44) 		4 MET A 395
ARG A 294
PRO A 249
GLY A 368
 None
 1.46A 3aqiA-3qk9A:
undetectable		 3aqiA-3qk9A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		4 ARG A 235
PRO A  40
GLY A 222
MET A  72
 None
 1.50A 3aqiA-3v8dA:
undetectable		 3aqiA-3v8dA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 MET A 221
ARG A 355
PRO A 287
TRP A 270
 None
PO4  A 702 (-3.9A)
None
None
 1.32A 3aqiA-3wstA:
3.2		 3aqiA-3wstA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 MET A 810
ARG A 798
PRO A 844
GLY A 794
 None
None
EDO  A1003 ( 4.9A)
None
 1.35A 3aqiA-4ckrA:
undetectable		 3aqiA-4ckrA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 MET A  26
ARG A 304
PRO A  61
GLY A  58
 None
 1.41A 3aqiA-4dpkA:
3.6		 3aqiA-4dpkA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A 314
ARG A 183
PRO A 279
MET A 299
 None
 1.31A 3aqiA-4i6fA:
undetectable		 3aqiA-4i6fA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ipa PUTATIVE CURVED
DNA-BINDING PROTEIN

(Chaetomium
thermophilum) 		PF00557
(Peptidase_M24) 		4 ARG A 336
PRO A 237
GLY A 244
TRP A 243
 None
 0.68A 3aqiA-4ipaA:
undetectable		 3aqiA-4ipaA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		4 MET A  80
PRO A  47
GLY A  43
MET A  45
 None
NDP  A 403 ( 4.9A)
FMN  A 401 (-4.8A)
NDP  A 402 ( 4.7A)
 1.26A 3aqiA-4iqlA:
undetectable		 3aqiA-4iqlA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6

(Homo sapiens) 		PF00328
(His_Phos_2) 		4 ARG A 386
PRO A 203
GLY A 302
MET A 299
 None
 1.41A 3aqiA-4jocA:
undetectable		 3aqiA-4jocA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		4 ARG A 182
PRO A  58
GLY A 116
TRP A  60
 None
 1.40A 3aqiA-4mf9A:
undetectable		 3aqiA-4mf9A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		4 MET A 354
ARG A 287
PRO A 224
GLY A 283
 None
SO4  A 609 (-2.5A)
None
None
 1.35A 3aqiA-4oerA:
undetectable		 3aqiA-4oerA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 354
GLY A 350
MET A 352
TRP A 369
 None
 1.38A 3aqiA-4tnbA:
undetectable		 3aqiA-4tnbA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 MET A 162
ARG A 122
GLY A 145
TRP A 156
 None
CL  A 302 ( 4.8A)
None
None
 1.50A 3aqiA-4wcjA:
undetectable		 3aqiA-4wcjA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 MET A  48
ARG A 323
PRO A 293
GLY A 289
 None
 1.37A 3aqiA-4wpzA:
undetectable		 3aqiA-4wpzA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		4 MET A 123
ARG A 172
PRO A  85
GLY A 137
 None
 1.09A 3aqiA-4y9dA:
2.4		 3aqiA-4y9dA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 355
GLY A 351
MET A 353
TRP A 370
 None
 1.44A 3aqiA-4yhjA:
undetectable		 3aqiA-4yhjA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ARG A  28
PRO A 248
GLY A 253
MET A 255
 None
 1.47A 3aqiA-5by7A:
2.3		 3aqiA-5by7A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		4 MET A 212
ARG A 299
PRO A 225
MET A 223
 None
 1.19A 3aqiA-5c2kA:
4.6		 3aqiA-5c2kA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm8 RAS-RELATED PROTEIN
RAL-A

(Drosophila
melanogaster) 		PF00071
(Ras) 		4 MET B 169
ARG B  49
PRO B 118
GLY B  83
 None
 1.46A 3aqiA-5cm8B:
2.5		 3aqiA-5cm8B:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 MET A 330
ARG A 311
PRO A 267
GLY A 316
 None
 1.36A 3aqiA-5e7jA:
4.0		 3aqiA-5e7jA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5c MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 MET A 131
PRO A  52
GLY A  48
MET A  50
 None
 1.20A 3aqiA-5h5cA:
undetectable		 3aqiA-5h5cA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		4 ARG A 159
PRO A 243
GLY A 102
TRP A 276
 None
 1.48A 3aqiA-5i84A:
undetectable		 3aqiA-5i84A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		4 MET A 228
ARG A 159
PRO A 243
GLY A 102
 None
 1.35A 3aqiA-5i84A:
undetectable		 3aqiA-5i84A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A 272
PRO A 231
GLY A 319
MET A 317
 BXP  A 509 (-2.9A)
None
None
None
 1.39A 3aqiA-5l6fA:
undetectable		 3aqiA-5l6fA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		4 MET A 215
ARG A 203
PRO A 166
GLY A 171
 None
 1.18A 3aqiA-5swnA:
2.8		 3aqiA-5swnA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 4 MET A   6
ARG A  78
PRO A  65
GLY A  68
 None
 1.45A 3aqiA-5utoA:
3.1		 3aqiA-5utoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		4 ARG A 155
PRO A 239
GLY A  98
TRP A 270
 PO4  A 400 (-2.8A)
None
None
None
 1.45A 3aqiA-5wnnA:
undetectable		 3aqiA-5wnnA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		4 MET A 224
ARG A 155
PRO A 239
GLY A  98
 None
PO4  A 400 (-2.8A)
None
None
 1.41A 3aqiA-5wnnA:
undetectable		 3aqiA-5wnnA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 4 MET A  69
ARG A 106
GLY A  89
MET A 123
 GPP  A 501 ( 3.7A)
None
None
None
 1.43A 3aqiA-5xk8A:
2.9		 3aqiA-5xk8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 4 ARG C 684
PRO C 755
GLY C 720
MET C 757
 None
 1.46A 3aqiA-5zyaC:
undetectable		 3aqiA-5zyaC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4a DOUBLECORTIN

(Toxoplasma
gondii) 		no annotation 4 PRO A 168
GLY A 216
MET A 154
TRP A 155
 None
 1.36A 3aqiA-6b4aA:
undetectable		 3aqiA-6b4aA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 4 ARG A 172
PRO A 456
GLY A 452
TRP A 451
 None
 1.45A 3aqiA-6fhtA:
undetectable		 3aqiA-6fhtA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g3u -

(-) 		no annotation 4 ARG A 124
PRO A 137
GLY A 132
MET A 258
 None
 1.30A 3aqiA-6g3uA:
3.1		 3aqiA-6g3uA:
undetectable